2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid - ≥98% , CAS No.1447-14-9

CAS: 1447-14-9 Cat. No.: D472255 Molecular Weight: 169.01 EC Number: 215-901-6

GRADE & PURITY ≥98%

Synonyms

DTXSID30932385 | EN300-21332 | AKOS016890707 | Cyclopropanecarboxylic acid, 2,2-dichloro-1-methyl- | 2,2-dichloro-1-methyl-1-cyclopropanecarboxylic acid | 1-Methyl-2,2-dichlorocyclopropanecarboxylic acid | EINECS 215-901-6 | STK208439 | 2,2-Dichloro-1-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid was used in solid phase synthesis of α-hydroxy esters, inhibitors of amyloid-β production.

Specifications

Synonyms

DTXSID30932385 | EN300-21332 | AKOS016890707 | Cyclopropanecarboxylic acid, 2, 2-dichloro-1-methyl- | 2, 2-dichloro-1-methyl-1-cyclopropanecarboxylic acid | 1-Methyl-2, 2-dichlorocyclopropanecarboxylic acid | EINECS 215-901-6 | STK208439 | 2, 2-Dichloro-1-met

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756528
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756528
• Canonical Smiles: CC1(CC1(Cl)Cl)C(=O)O
• IUPAC Name: 2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
• InChIKey: BIUUWIKPBYWKEQ-UHFFFAOYSA-N
• INCHI: 1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
• Isomeric SMILES: CC1(CC1(Cl)Cl)C(=O)O
• WGK Germany: 3
• Molecular Weight: 169.01
• Reaxy-Rn: 1937304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937304&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): 85 °C/8 mmHg
• Melt Point(°C): 60-65 °C
• Molecular Weight: 169.000 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.974 Da
• Monoisotopic Mass: 167.974 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1